6TPN
Crystal structure of the Orexin-2 receptor in complex with HTL6641 at 2.61 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96863 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 90.945, 173.950, 78.327 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.475 - 2.608 |
R-factor | 0.2158 |
Rwork | 0.214 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wqc |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.488 | 2.794 |
High resolution limit [Å] | 2.608 | 2.608 |
Number of reflections | 11699 | 4223 |
<I/σ(I)> | 5.9 | |
Completeness [%] | 91.6 | |
Redundancy | 8.3 | |
CC(1/2) | 0.996 | 0.426 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | 100 mM trisodium citrate buffer 150-300 mM lithium nitrate or 150-300 mM potassium nitrate 28-43 % (v/v) polyethylene glycol 400 |